2-(4-Fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile CAS 478048-47-4
| CAS No. | 478048-47-4 |
| Molecular Formula | C11H7FN4O2 |
| Molecular Weight | 246.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 246.20 g/mol gives 2-(4-Fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-(4-Fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile (CAS 478048-47-4) is a high-purity analytical reference standard with the molecular formula C11H7FN4O2 and a molecular weight of 246.20 g/mol.
Structurally, 2-(4-Fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile (C11H7FN4O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 246.20 g/mol, it falls into the medium-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C11H7FN4O2 |
| Molecular Weight | 246.20 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
Related Fluorophenyl Standards
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Recommended Standards
- 1-(4-(Pentafluoro-lambda6-sulfanyl)phenyl)ethan-1-one (CAS 401892-83-9)
- 2-Nitro-4-sulfamoylbenzoic acid (CAS 29092-31-7)
- 8-(2-Fluorophenoxy)-[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one (CAS 1710833-88-7)
- 3-nitro-4-sulfamoylbenzoic acid (CAS 89795-76-6)
- 1-((2,4,6-Triisopropylphenyl)sulfonyl)-1H-1,2,4-triazole (CAS 54230-60-3)
- 5,6-Diphenyl-1,3,3a,4,7,7a-hexahydroisobenzofuran (CAS 823179-46-0)
- Benzyl methyl(oxiran-2-yl)carbamate (CAS 2167598-54-9)
- 7-bromo-1,2-dihydro-1,5-naphthyridin-2-one (CAS 959616-36-5)
- 2-Methoxy-4-methylpyrimidine (CAS 14001-60-6)
- (R)-1-(3-chloro-4-(trifluoromethyl)phenyl)pentan-1-amine (CAS 1212841-51-4)
- 2-(2-Ethylhexyl)-3-hexylthiophene (CAS 1627680-06-1)
- 2-(2,2,2-Tifluoroethyl)isonicotinic acid (CAS 1256809-68-3)
- N6-(6-Aminohexyl)adenosine 2′,5′-diphosphate lithium salt (CAS 55914-62-0)
- Des-Ile27-Tirzepatide (CAS CATO-CPTD788946)
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